5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-thieno[3,2-c]pyridin-2-ylimidazolidine-2,4-dione

C20H16N4O4S — CID 76566282

IUPAC5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-thieno[3,2-c]pyridin-2-ylimidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(CC1(c3cc4cnccc4s3)NC(=O)NC1=O)C2
InChIInChI=1S/C20H16N4O4S/c1-28-13-3-2-11-9-24(17(25)14(11)7-13)10-20(18(26)22-19(27)23-20)16-6-12-8-21-5-4-15(12)29-16/h2-8H,9-10H2,1H3,(H2,22,23,26,27)
InChIKeySTUHSIVLYFUVGP-UHFFFAOYSA-N
MW408.44 g/mol
LogP2.00
Rot. Bonds4

About 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-thieno[3,2-c]pyridin-2-ylimidazolidine-2,4-dione

5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-thieno[3,2-c]pyridin-2-ylimidazolidine-2,4-dione (PubChem CID 76566282) has the molecular formula C20H16N4O4S and a molecular weight of 408.44 g/mol. Its IUPAC name is 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-thieno[3,2-c]pyridin-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-thieno[3,2-c]pyridin-2-ylimidazolidine-2,4-dione
PubChem CID76566282
Molecular FormulaC20H16N4O4S
Molecular Weight408.44 g/mol
Exact Mass408.09
IUPAC Name5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-thieno[3,2-c]pyridin-2-ylimidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(CC1(c3cc4cnccc4s3)NC(=O)NC1=O)C2
InChIInChI=1S/C20H16N4O4S/c1-28-13-3-2-11-9-24(17(25)14(11)7-13)10-20(18(26)22-19(27)23-20)16-6-12-8-21-5-4-15(12)29-16/h2-8H,9-10H2,1H3,(H2,22,23,26,27)
InChIKeySTUHSIVLYFUVGP-UHFFFAOYSA-N
XLogP2.00
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(4-(pyridin-3-yl)phenyl)imidazolidine-2,4-dione
CID 46934000
(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(pyridin-3-ylethynyl)imidazolidine-2,4-dione
CID 17754305
(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(4-(2-methylpyridin-4-yl)phenyl)imidazolidine-2,4-dione
CID 46933694
(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(4-(pyridin-2-yl)phenyl)imidazolidine-2,4-dione
CID 49865044
(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(4-(pyridin-4-yl)phenyl)imidazolidine-2,4-dione
CID 49865045
(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(4-(thiazol-2-yl)phenyl)imidazolidine-2,4-dione
CID 49865108
(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-((6-((1-methylpiperidin-4-yl)methyl)pyridin-3-yl)ethynyl)imidazolidine-2,4-dione
CID 52944849
(5S)-5-furo[3,2-c]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 57561293
(5S)-5-furo[2,3-b]pyridin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 57561367
2-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-4H-9-thia-2,4,6-triaza-fluorene-1,3-dione
CID 9955302
5-[2-[(3aR,9bR)-6-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl]ethyl]-8-thia-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione
CID 10411384
(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(4-(pyridin-4-yloxy)phenyl)imidazolidine-2,4-dione
CID 49864904

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-thieno[3,2-c]pyridin-2-ylimidazolidine-2,4-dione?
The IUPAC name of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-thieno[3,2-c]pyridin-2-ylimidazolidine-2,4-dione (CID 76566282) is 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-thieno[3,2-c]pyridin-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-thieno[3,2-c]pyridin-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-thieno[3,2-c]pyridin-2-ylimidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(CC1(c3cc4cnccc4s3)NC(=O)NC1=O)C2.
What is the InChIKey of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-thieno[3,2-c]pyridin-2-ylimidazolidine-2,4-dione?
The InChIKey is STUHSIVLYFUVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4S/c1-28-13-3-2-11-9-24(17(25)14(11)7-13)10-20(18(26)22-19(27)23-20)16-6-12-8-21-5-4-15(12)29-16/h2-8H,9-10H2,1H3,(H2,22,23,26,27).
What are the key properties of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-thieno[3,2-c]pyridin-2-ylimidazolidine-2,4-dione?
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-thieno[3,2-c]pyridin-2-ylimidazolidine-2,4-dione has a molecular weight of 408.44 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-thieno[3,2-c]pyridin-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 76566282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).